There are high expectations that quantum computers may deliver revolutionary new possibilities for simulating chemical processes. This could have a major impact on everything from the development of ...

Understanding the chemical properties of a molecule is an inherently quantum problem, making quantum computers a good tool ...

A gold superconducting quantum computer hangs against a black background. Quantum computers, like the one shown here, could someday allow chemists to solve problems that classical computers can’t.

The Kennedy College of Science, Department of Chemistry, invites you to attend a Ph.D. Research Proposal defense by Kithma Sajini entitled “Computational Investigation of Ligand-Protected Gold ...

Quantum effects can play an important role in chemical reactions. Physicists have now observed a quantum mechanical tunneling reaction in experiments. The observation can also be described exactly in ...

In a new paper published in The Journal of Chemical Theory and Computation, researchers from IBM Quantum and Lockheed Martin demonstrate how a quantum computer can help accurately model the electronic ...

Quantum chemistry calculations offer the best combination of efficiency and accuracy for predicting molecular properties. But the complexity of density functional theory and other methods makes them ...

On May 7, 1981, influential physicist Richard Feynman gave a keynote speech at Caltech. Feynman opened his talk by politely rejecting the very notion of a keynote speech, instead saying that he had ...